Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.6 BDBM50143759

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143759 ((2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-in...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 Show InChI InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against human C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143759 ((2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-in...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 Show InChI InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity against monkey C-C chemokine receptor type 5.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143759 ((2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-in...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 Show InChI InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair